SCHEMBL947863

SCHEMBL947863

O=C(O)CCCCc1cccc(OCCCCc2ccccc2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 6/20 0.67
▸ CYSLTR2 Q9NS75 1/20 0.65
▸ CYSLTR1 Q9Y271 1/20 0.65
▸ MAPT P10636 1/20 0.63
▸ RXFP1 Q9HBX9 1/20 0.63
▸ S1PR1 P21453 3/20 0.58
▸ HDAC3 O15379 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ ADRA1A P35348 1/20 0.57
▸ HDAC4 P56524 1/20 0.57
▸ SLC6A3 Q01959 1/20 0.57
▸ HDAC1 Q13547 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ HDAC7 Q8WUI4 1/20 0.57
▸ HDAC2 Q92769 1/20 0.57
▸ HDAC10 Q969S8 1/20 0.57
▸ HDAC11 Q96DB2 1/20 0.57
▸ HDAC8 Q9BY41 1/20 0.57
▸ HDAC6 Q9UBN7 1/20 0.57
▸ HDAC9 Q9UKV0 1/20 0.57

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25175611 0.94 FFAR1 (0.76) FFAR1CYSLTR2CYSLTR1MAPTRXFP1
SCHEMBL7474979 0.89 CYSLTR2 (0.57) FFAR1CYSLTR2CYSLTR1MAPTRXFP1
SCHEMBL27419819 0.89 PPARA (0.74) CYSLTR2CYSLTR1CNR1CNR2PPARA
SCHEMBL25456613 0.89 PPARA (0.74) CYSLTR2CYSLTR1CNR1CNR2PPARA
SCHEMBL4123448 0.89 PPARA (0.74) CYSLTR2CYSLTR1CNR1CNR2PPARA
SCHEMBL4112790 0.89 PPARA (0.74) CYSLTR2CYSLTR1CNR1CNR2PPARA
SCHEMBL20945377 0.89 PPARA (0.58) FFAR1CYSLTR2CYSLTR1MAPTRXFP1
SCHEMBL17413767 0.88 FFAR1 (0.71) FFAR1CYSLTR2CYSLTR1S1PR1
SCHEMBL7989273 0.87 CYSLTR2 (0.54) FFAR1CYSLTR2CYSLTR1CNR1CNR2
SCHEMBL7552344 0.87 FFAR1 (0.55) FFAR1CYSLTR2CYSLTR1CNR1CNR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2883865-B1 Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO (JP) 2019-09-25 — — EP disclosed
EP-2883865-A1 Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2015-06-17 — — EP disclosed
EP-1661881-B1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO (JP) 2014-12-17 — — EP disclosed
US-20140288034-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2014-09-25 — — US disclosed
US-8791159-B2 Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-07-29 — — US disclosed
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD (JP) 2011-01-27 — — US disclosed
US-7825109-B2 Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2010-11-02 — — US disclosed
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD (JP) 2007-07-19 — — US disclosed
CN-1874991-A Compounds capable of binding to the S1P receptor and pharmaceutical uses thereof ONO PHARMACEUTICAL CO (JP) 2006-12-06 — — CN disclosed
EP-1661881-A2 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-05-31 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140288034-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR2, S1PR3 FFAR1 28/4885CYSLTR2 72/4885CYSLTR1 21/4885
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 FFAR1 37/4885CYSLTR2 227/4885CYSLTR1 55/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 FFAR1 37/4885CYSLTR2 227/4885CYSLTR1 55/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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